1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine

C15H23N — CID 123627309

IUPAC1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine
SMILESC=C(C)C=C(CC=C=C(C)C)N1CCCC1
InChIInChI=1S/C15H23N/c1-13(2)8-7-9-15(12-14(3)4)16-10-5-6-11-16/h7,12H,3,5-6,9-11H2,1-2,4H3
InChIKeyIYNYHKIUNDHMEG-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine

1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine (PubChem CID 123627309) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine.

Molecular Properties

Compound Name1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine
PubChem CID123627309
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine
SMILESC=C(C)C=C(CC=C=C(C)C)N1CCCC1
InChIInChI=1S/C15H23N/c1-13(2)8-7-9-15(12-14(3)4)16-10-5-6-11-16/h7,12H,3,5-6,9-11H2,1-2,4H3
InChIKeyIYNYHKIUNDHMEG-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine?
The IUPAC name of 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine (CID 123627309) is 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine.
What is the SMILES notation for 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine?
The canonical SMILES for 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine is C=C(C)C=C(CC=C=C(C)C)N1CCCC1.
What is the InChIKey of 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine?
The InChIKey is IYNYHKIUNDHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(2)8-7-9-15(12-14(3)4)16-10-5-6-11-16/h7,12H,3,5-6,9-11H2,1-2,4H3.
What are the key properties of 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine?
1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethylnona-1,3,6,7-tetraen-4-yl)pyrrolidine is sourced from PubChem (CID 123627309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).